Multireference approaches for excited states of molecules

H Lischka, D Nachtigallova, AJA Aquino… - Chemical …, 2018‏ - ACS Publications
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

Theory and simulation of the ultrafast double-bond isomerization of biological chromophores

S Gozem, HL Luk, I Schapiro, M Olivucci - Chemical reviews, 2017‏ - ACS Publications
Ultrafast processes in light-absorbing proteins have been implicated in the primary step in
the light-to-energy conversion and the initialization of photoresponsive biological functions …

Ultrafast excited-state dynamics in nucleic acids

CE Crespo-Hernández, B Cohen, PM Hare… - Chemical …, 2004‏ - ACS Publications
The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

Femtosecond time-resolved photoelectron spectroscopy

A Stolow, AE Bragg, DM Neumark - Chemical reviews, 2004‏ - ACS Publications
The development of femtosecond time-resolved methods for the study of gas-phase
molecular dynamics is founded upon the seminal studies of Zewail and co-workers, as …

Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1 πσ* states: A new paradigm for nonradiative decay in aromatic biomolecules

AL Sobolewski, W Domcke… - Physical Chemistry …, 2002‏ - pubs.rsc.org
The combined results of ab initio electronic-structure calculations and spectroscopic
investigations of jet-cooled molecules and clusters provide strong evidence of a surprisingly …

Deep learning study of tyrosine reveals that roaming can lead to photodamage

J Westermayr, M Gastegger, D Vörös… - Nature Chemistry, 2022‏ - nature.com
Amino acids are among the building blocks of life, forming peptides and proteins, and have
been carefully 'selected'to prevent harmful reactions caused by light. To prevent …

Proton transfer and structure-specific fluorescence in hydrogen bond-rich protein structures

D Pinotsi, L Grisanti, P Mahou, R Gebauer… - Journal of the …, 2016‏ - ACS Publications
Protein structures which form fibrils have recently been shown to absorb light at energies in
the near UV range and to exhibit a structure-specific fluorescence in the visible range even …

The red‐edge effects: 30 years of exploration

AP Demchenko - Luminescence: the journal of biological and …, 2002‏ - Wiley Online Library
In 1970, three laboratories independently made a discovery that, for aromatic fluorophores
embedded into different rigid and highly viscous media, the spectroscopic properties do not …

Proton‐activated “off–on” room‐temperature phosphorescence from purely organic thioethers

L Huang, B Chen, X Zhang, CO Trindle… - Angewandte …, 2018‏ - Wiley Online Library
Abstract Room‐temperature phosphorescence (RTP)‐based sensors have distinctive
advantages over the fluorescence counterparts, such as larger Stokes shifts and longer …

Excited states dynamics of DNA and RNA bases: Characterization of a stepwise deactivation pathway in the gas phase

C Canuel, M Mons, F Piuzzi, B Tardivel… - The Journal of …, 2005‏ - pubs.aip.org
Radiationless deactivation pathways of excited gas phase nucleobases were investigated
using mass-selected femtosecond resolved pump-probe resonant ionization. By comparison …